3-hydrazinyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Formula:C5H5N7O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-hydrazinyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is a drug-like molecule.
| MolName | 3-hydrazinyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione |
| MolecularFormula | C5H5N7O2 |
| Smiles | NNc1nc(NC(NC2=O)=O)c2nn1 |
| InChI | InChI=1S/C5H5N7O2/c6-10-4-7-2-1(11-12-4)3(13)9-5(14)8-2/h6H2,(H3,7,8,9,10,12,13,14) |
| InChIK | BYFJYVVOZULSEI-UHFFFAOYSA-N |
| TotalMolweight | 195.142 |
| Molweight | 195.142 |
| MonoisotopicMass | 195.050473 |
| CLogP | -1.1427 |
| CLogS | -1.662 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 134.44 |
| Relative PSA | 0.80809 |
| PolarSurfaceArea | 134.92 |
| Druglikeness | -1.6207 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-hydrazinyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione | 2 - 3-hydrazinyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
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